Geometry & MOs

Info

ID:	380964
PubChem CID:	134971576
Reduced:	CuO9C19H24 (1)
Stoich.:	AB9C19D24 (1)
Weight, g/mol:	336.120903
ΔH_f, kcal/mol:	-306.17
Dipole, Da:	1.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(4-ethoxycarbonylphenyl)-hydroxymethylidene]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C(=C(C(=O)OCC)C(=O)OCC)O.CC(=O)O.[Cu]

DOS

IR

Vibrations